3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one

C7H8N4OS — CID 171977902

IUPAC3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one
SMILESCCCn1nnc2scnc2c1=O
InChIInChI=1S/C7H8N4OS/c1-2-3-11-7(12)5-6(9-10-11)13-4-8-5/h4H,2-3H2,1H3
InChIKeyPCCBORQZMXCNPJ-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.66
Rot. Bonds2

About 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one

3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one (PubChem CID 171977902) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one
PubChem CID171977902
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one
SMILESCCCn1nnc2scnc2c1=O
InChIInChI=1S/C7H8N4OS/c1-2-3-11-7(12)5-6(9-10-11)13-4-8-5/h4H,2-3H2,1H3
InChIKeyPCCBORQZMXCNPJ-UHFFFAOYSA-N
XLogP0.66
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;5-methyl-1-propyltriazole
CID 164526823
7-bromo-3-propyltriazolo[4,5-c]pyridine
CID 112757290
(1-propyltetrazol-5-yl)methyl 4-methyl-1,3-thiazole-5-carboxylate
CID 55769227
(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone
CID 114686087
4,5-dibromo-1-propyltriazole
CID 69386726
3-[2-(pentan-2-ylamino)ethyl]-1,2,3-benzotriazin-4-one
CID 62566912
6-[(4-fluorophenyl)methyl]-5-[1-(4-methylpiperazin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10126738
2-amino-1-(5-methyl-3-propyltriazol-4-yl)ethanone
CID 82407715
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
4,5-ditert-butyl-2-propylpyridazin-3-one
CID 23552383
6-(5-bromopyrimidin-2-yl)-2-propylpyridazin-3-one
CID 70961882
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
CID 31109458

Frequently Asked Questions

What is the IUPAC name of 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one (CID 171977902) is 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one is CCCn1nnc2scnc2c1=O.
What is the InChIKey of 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one?
The InChIKey is PCCBORQZMXCNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-2-3-11-7(12)5-6(9-10-11)13-4-8-5/h4H,2-3H2,1H3.
What are the key properties of 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one?
3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one has a molecular weight of 196.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-[1,3]thiazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 171977902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).